N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide

C25H23NO5 — CID 40816642

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESC[C@@H](CCc1ccco1)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C25H23NO5/c1-17(9-10-19-8-5-13-29-19)26-24(27)16-30-20-11-12-21-23(14-20)31-15-22(25(21)28)18-6-3-2-4-7-18/h2-8,11-15,17H,9-10,16H2,1H3,(H,26,27)/t17-/m0/s1
InChIKeyGNYVGLVKFSJOHX-KRWDZBQOSA-N
MW417.46 g/mol
LogP4.57
Rot. Bonds8

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide

N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 40816642) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID40816642
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESC[C@@H](CCc1ccco1)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C25H23NO5/c1-17(9-10-19-8-5-13-29-19)26-24(27)16-30-20-11-12-21-23(14-20)31-15-22(25(21)28)18-6-3-2-4-7-18/h2-8,11-15,17H,9-10,16H2,1H3,(H,26,27)/t17-/m0/s1
InChIKeyGNYVGLVKFSJOHX-KRWDZBQOSA-N
XLogP4.57
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 162959375
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 40816642) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is C[C@@H](CCc1ccco1)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is GNYVGLVKFSJOHX-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17(9-10-19-8-5-13-29-19)26-24(27)16-30-20-11-12-21-23(14-20)31-15-22(25(21)28)18-6-3-2-4-7-18/h2-8,11-15,17H,9-10,16H2,1H3,(H,26,27)/t17-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 417.46 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 40816642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).